1,2-bisethane | 98815-27-1

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: 1,2-bisethane
• 英文别名: 1,2-bis(bis(p-(trifluoromethyl)phenyl)phosphino)ethane；1,2-bis(di(4-trifluoromethylphenyl)phosphino)ethane；1,2-bis[di(p-trifluoromethylphenyl)phosphino]ethane；1,2-bis[bis(p-trifluoromethylphenyl)phosphino]ethane；Ethylenebis[bis[4-(trifluoromethyl)phenyl]phosphine]；2-bis[4-(trifluoromethyl)phenyl]phosphanylethyl-bis[4-(trifluoromethyl)phenyl]phosphane
• CAS: 98815-27-1
• 化学式: C₃₀H₂₀F₁₂P₂
• 分子量: 670.417
• InChiKey: NJOXJFIZABUAPY-UHFFFAOYSA-N

物化性质

• 沸点：
  535.7±50.0 °C(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  9.4
• 重原子数：
  44
• 可旋转键数：
  7
• 环数：
  4.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  0
• 氢给体数：
  0
• 氢受体数：
  12

反应信息

• 作为反应物：
  描述：

  tris(triphenylphosphine)ruthenium(II) chloride 、 1,2-bisethane 以 丙酮 为溶剂， 以86%的产率得到
  参考文献：
  名称：

  Effect of the Ligand and Metal on the pKa Values of the Dihydrogen Ligand in the Series of Complexes [M(H2)H(L)2]+, M = Fe, Ru, Os, Containing Isosteric Ditertiaryphosphine Ligands, L

  摘要：

  The new dihydrogen complexes trans-[MH(H-2)L(2)]BF4, L = P(C6H4-4-R)(2)CH2CH2P(C6H4-4-R)(2), R = CF3, M = Fe, Ru, and Os, R = CH3, M = Fe, R = OMe, M = Ru, are prepared by reaction of the dihydride complexes MH(2)L(2) With HBF4. The H-H bond length of the spinning H-2 ligand does not change significantly as a function of R (from CF3 to CH3 when M = Fe and from CF3 to OCH3 for M = Ru) according to H-1 NMR T-1 and (1)J(HD) measurements while there is a lengthening for the Os complexes. The rate constants for H atom exchange (reflecting the ease of homolytic splitting of H-2) increase with the increasing donor ability of R for a given metal as do the pK(a) values (reflecting a decrease in ease of heterolytic splitting). The electrochemical properties of some complexes MH(Cl)L(2) and MH(2)L(2) are reported. As expected H-2 acidity decreases as the parent hydride becomes easier to oxidize with this change in R (same M). The trend in dihydrogen pK(a) values as a function of the metal, Fe < Os < Ru, is distinctively different to the trend in pK(a) values of the dihydride complexes M(H)(2)(CO)(4), Fe < Ru < Os, and [M(C5H5)(H)(2)(PPh(3))(2)](+), Ru < Os, The high H-H bond energy of the RU(2+) complexes trans-[RuH(H-2)L(2)]BF4 is probably the reason why they are less acidic than corresponding Os2+ complexes. A consideration of the pK(a) values correctly indicated that a RuH(2)L(2)/[RuH(H-2)L(2)](+) mixture would be more effective at H/D exchange between D-2 and HO(t)Bu than the dihydrogen complex alone.

  DOI：

  10.1021/ja00087a024
• 作为产物：
  描述：

  以 甲醇 为溶剂， 以100 %的产率得到1,2-bisethane
  参考文献：
  名称：

  二膦-Pd(II) 复合物的跨膜氯化物转运：配体几何结构的影响

  摘要：

  双膦-Pd(II) 复合物以高效率和选择性将氯化物转运穿过磷脂膜。它们的转运活性主要受其亲脂性的影响，而其他参数（例如二膦配体的咬合角和取代基的电子特性）的影响较小。此外，观察到其他金属离子（Ni(II) 和 Cu(I)）的传输活性促使二膦-金属络合物成为一类新的阴离子载体。

  DOI：

  10.1002/ejoc.202201121
• 作为试剂：
  描述：

  戊烯 、 一氧化碳 在 iridium(III) chloride trihydrate 、 双(4-甲氧基苯基)苯基膦 、 对甲苯磺酸 、 1,2-bisethane 作用下， 以 N-甲基吡咯烷酮 、 水 为溶剂， 140.0 ℃ 、4.0 MPa 条件下， 反应 20.0h， 生成 2-甲基-1-戊醇 、 2-乙基-1-丁醇 、 正己醇
  参考文献：
  名称：

  铱催化多米诺加氢甲酰化/烯烃氢化成醇：两种配体的协同作用

  摘要：

  计划：烯烃已通过使用铱催化剂和两种配体的协同作用进行羟甲基化。DFT 计算为在进行实证研究之前开发新的催化系统提供了机会。然后以铱催化的多米诺加氢甲酰化/烯烃在水煤气变换反应条件下还原为醇为例进行了研究。同时应用两种不同的配体（L1和L10）提高了酒精产量并验证了计算模型。

  DOI：

  10.1002/chem.202104012

文献信息

• Acceptorless and Base-free Dehydrogenation of Cyanohydrin with (η⁶ -Arene)halide(Bidentate Phosphine)ruthenium(II) Complex
  作者：Kicheol Kim、Adhitya Mangala Putra Moeljadi、Hajime Hirao、Soon Hyeok Hong

  DOI：10.1002/adsc.201700786

  日期：2017.10.4

  Ruthenium‐catalyzed dehydrogenation of cyanohydrins under acceptorless and base‐free conditions was demonstrated for the first time in the synthesis of acyl cyanide. As opposed to the thermodynamically preferred elimination of hydrogen cyanide, the dehydrogenation of cyanohydrins could be kinetically controlled with ruthenium (II) bidentate phosphine complexes. The effects of the arene, phosphine ligands

  在酰基氰化物的合成中首次证明了钌在无受体和无碱条件下对氰醇的脱氢作用。与热力学上优选的氰化氢消除相反，氰醇的脱氢可以用钌（II）二齿膦配合物动力学控制。关于催化活性和选择性，研究了芳烃，膦配体和抗衡阴离子的作用。通过用实验观察到的[（alkoxide）Ru]络合物消除β-氢化物可以发生选择性脱氢。
• The preparation and properties of some diphosphines R2PCH2CH2PR2(R = alkyl or aryl) and of their rhenium(I) dinitrogen derivatives
  作者：Joseph Chatt、Wasif Hussain、G. Jeffery Leigh、Hapipah Mohd. Ali、Christopher J. Picket、Douglas A. Rankin

  DOI：10.1039/dt9850001131

  日期：——

  The synthesis of a range of diphosphines R2PCH2CH2PR2 from Cl2PCH2CH2PCl2 is described. The properties of a series of complexes [ReCl(N2)(R2PCH2CH2PR2)2] derived from them are discussed. The relationship between the values of E½ox and ν(N2) for the complexes suggests that electron-withdrawing substituents on the diphosphine upset the usual balance of σ and π effects in rhenium–dinitrogen bonding.

  描述了从Cl 2 PCH 2 CH 2 PCl 2合成一定范围的二膦R 2 PCH 2 CH 2 PR 2。讨论了从它们衍生的一系列配合物[ReCl（N 2）（R 2 PCH 2 CH 2 PR 2）2 ]的性质。的值之间的关系Ë ½牛和ν（N 2），用于所述配合物表明在二膦即吸电子取代基打乱σ和铼二氮键合π作用的通常的平衡。
• Rhodium(i) complexes of unsymmetrical diphosphines: efficient and stable methanol carbonylation catalysts
  作者：Charles-Antoine Carraz、A. Guy Orpen、Dianne D. Ellis、Paul G. Pringle、Evert J. Ditzel、Glenn J. Sunley

  DOI：10.1039/b002802i

  日期：——

  Rhodium complexes of unsymmetrical diphosphines of the type Ph2PCH2CH2PAr2 are catalysts for the carbonylation of methanol; several features of the catalysis are reminiscent of iridium carbonylation catalysts.

  Ph2PCH2CH2PAr2 型不对称二膦的铑配合物是甲醇羰基化的催化剂；催化的几个特征让人想起铱羰基化催化剂。
• Homogeneous catalysis. Conversion of 4-pentenals to cyclopentanones by efficient rhodium-catalyzed hydroacylation
  作者：David P. Fairlie、B. Bosnich

  DOI：10.1021/om00094a025

  日期：1988.4
• Jia, Guochen; Morris, Robert H., Journal of the American Chemical Society, 1991, vol. 113, # 3, p. 875 - 883
  作者：Jia, Guochen、Morris, Robert H.

  DOI：——

  日期：——